CAS 75279-53-7 (4-Chloro-2-fluoro-phenyl)-acetonitrile (HCID 2736569)

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기본 정보

CAS: 75279-53-7
표준 SMILES: N#CCc1ccc(Cl)cc1F
InChIKey: RTQOANCZEAIDEZ-UHFFFAOYSA-N
분자식: C8H5ClFN
평균 분자량: 169.58 g/mol
단동위원소 질량: 169.00945506

개요

2-(4-Chloro-2-fluorophenyl)acetonitrile is a nitrile.

이름 및 식별자

우선 이름: (4-Chloro-2-fluoro-phenyl)-acetonitrile
IUPAC: 2-(4-chloro-2-fluorophenyl)acetonitrile
영어명: 4-Chloro-2-fluorophenylacetonitrile
분자식: C8H5ClFN
분자량: 169.58

이름 및 동의어

4-chloro-2-fluorobenzeneacetonitrile(4-chloro-2-fluoro-phenyl)-acetonitrileEC 642-783-7RefChem:402593642-783-775279-53-74-Chloro-2-fluorophenylacetonitrile2-(4-chloro-2-fluorophenyl)acetonitrile4-Chloro-2-fluorobenzyl cyanideMFCD01312758Benzeneacetonitrile, 4-chloro-2-fluoro-(4-chloro-2-fluorophenyl)acetonitrile

이름 더 보기

4-Chloro-2-fluorobenzylcyanide2-FLUORO-4-CHLOROBENZYL CYANIDE2-Fluoro-4-chlorobenzeneacetonitrile2-(4-Cloro-2-fluorophenyl)acetonitrile4-Chloro-2-fluorophenylacetonitrile, 98+%4-CHLORO-2-FLUOROPHENYLACETONITRILE: TECH.

2-(4-chloro-2-fluorophenyl)ethanenitrile2-(4-chloro-2-fluoro-phenyl)acetonitrileXX6QFR93JRSCHEMBL444029orb3027101SCHEMBL30317077DTXSID403714484-chloro-2-fluoro-benzyl cyanide

데이터베이스 식별자

CAS: 75279-53-7
PubChem CID: 2736569
DTXSID

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 37 · 37-41℃
끓는 점: 133 °C · 133 °C
밀도: 1.286 · 1.286±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 융합된 고체
색상: 회백색
InChI: InChI=1S/C8H5ClFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2
InChIKey: RTQOANCZEAIDEZ-UHFFFAOYSA-N
SMILES: C1(CC#N)=CC=C(Cl)C=C1F
LogP: 2.34 at · 2.34 at 25℃ and pH7

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.